prop-2-enylbenzene

C18H20 — CID 159998516

IUPACprop-2-enylbenzene
SMILESC=CCc1ccccc1.C=CCc1ccccc1
InChIInChI=1S/2C9H10/c2*1-2-6-9-7-4-3-5-8-9/h2*2-5,7-8H,1,6H2
InChIKeyOHWAGCQMMQNGSO-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.83
Rot. Bonds4

About prop-2-enylbenzene

prop-2-enylbenzene (PubChem CID 159998516) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is prop-2-enylbenzene.

Molecular Properties

Compound Nameprop-2-enylbenzene
PubChem CID159998516
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameprop-2-enylbenzene
SMILESC=CCc1ccccc1.C=CCc1ccccc1
InChIInChI=1S/2C9H10/c2*1-2-6-9-7-4-3-5-8-9/h2*2-5,7-8H,1,6H2
InChIKeyOHWAGCQMMQNGSO-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 173215164
CID 173215164
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
pentane;prop-2-enylbenzene
CID 90884247
propan-2-amine;prop-2-enylbenzene
CID 66809896
prop-2-enylbenzene;styrene;hydrochloride
CID 174946140
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
4-(4-aminophenyl)aniline;prop-2-enylbenzene
CID 175268611

Frequently Asked Questions

What is the IUPAC name of prop-2-enylbenzene?
The IUPAC name of prop-2-enylbenzene (CID 159998516) is prop-2-enylbenzene.
What is the SMILES notation for prop-2-enylbenzene?
The canonical SMILES for prop-2-enylbenzene is C=CCc1ccccc1.C=CCc1ccccc1.
What is the InChIKey of prop-2-enylbenzene?
The InChIKey is OHWAGCQMMQNGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10/c2*1-2-6-9-7-4-3-5-8-9/h2*2-5,7-8H,1,6H2.
What are the key properties of prop-2-enylbenzene?
prop-2-enylbenzene has a molecular weight of 236.36 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylbenzene is sourced from PubChem (CID 159998516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).